Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester
Basic information
- CAS
88847-67-0- Standard SMILES
CP(=O)(Oc1cc(Cl)c(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl- InChIKey
MIGVAKXWEHXARP-UHFFFAOYSA-N- Molecular formula
- C13H7Cl6O3P
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 451.826397
Names & identifiers
- Preferred name
- Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester
- IUPAC
- 1,2,4-trichloro-5-[methyl-(2,4,5-trichlorophenoxy)phosphoryl]oxybenzene
Names & synonyms
O,O-Bis(2,4,5-trichlorophenyl) methylphosphonateDTXSID4023737388847-67-0Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) esterRefChem:370574DTXCID40159864bis(2,4,5-trichlorophenyl) methylphosphonate
Database identifiers
- CAS
88847-67-0- PubChem CID
- 93487
- DTXSID
DTXSID40237373- Nikkaji
- J806.791K
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…